1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine

C14H17ClF4N2 — CID 171169817

IUPAC1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
SMILESFc1ccc(Cl)c([C@@H](CCC(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C14H17ClF4N2/c15-12-2-1-10(16)9-11(12)13(3-4-14(17,18)19)21-7-5-20-6-8-21/h1-2,9,13,20H,3-8H2/t13-/m1/s1
InChIKeyYJTJUDUWBUWBKS-CYBMUJFWSA-N
MW324.75 g/mol
LogP3.77
Rot. Bonds4

About 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine

1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine (PubChem CID 171169817) has the molecular formula C14H17ClF4N2 and a molecular weight of 324.75 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
PubChem CID171169817
Molecular FormulaC14H17ClF4N2
Molecular Weight324.75 g/mol
Exact Mass324.10
IUPAC Name1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
SMILESFc1ccc(Cl)c([C@@H](CCC(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C14H17ClF4N2/c15-12-2-1-10(16)9-11(12)13(3-4-14(17,18)19)21-7-5-20-6-8-21/h1-2,9,13,20H,3-8H2/t13-/m1/s1
InChIKeyYJTJUDUWBUWBKS-CYBMUJFWSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
CID 171164488
1-[(1R)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine
CID 171169673
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine
CID 171164341
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171302665
1-[(1S)-1-(2-bromo-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302555
(4R)-4-(2-chloro-5-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173625
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171164790
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451
1-[(1S)-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302569
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172810

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine (CID 171169817) is 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine is Fc1ccc(Cl)c([C@@H](CCC(F)(F)F)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine?
The InChIKey is YJTJUDUWBUWBKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17ClF4N2/c15-12-2-1-10(16)9-11(12)13(3-4-14(17,18)19)21-7-5-20-6-8-21/h1-2,9,13,20H,3-8H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine?
1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine has a molecular weight of 324.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine is sourced from PubChem (CID 171169817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).